* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    163    260     479
    1     0 S   NP   _N1_     1    28.60054    96.61900   -20.66128
    2     1 S   H    _HN1     2     1.02777    83.86556   -72.13831
    3     1 S   H    _H1_     3     1.02960    83.32324    37.19957
    4     1 S   H    _H2_     4     1.02835    41.80803   162.13131
    5     1 S   CT   _CA1     5     1.50115   152.52881   159.59579
    6     5 S   HC   _HA1     6     1.09569   105.25145    60.92262
    7     5 S   CO3  _C1_     7     1.53822   112.44066   -59.34539
    8     7 S   O2Z  _O11     8     1.26362   115.01383   -41.58822
    9     7 S   O2Z  _O12     9     1.26234   114.96818   137.76478
   10     5 S   CT   _CB1    10     1.53114   107.43435   178.94112
   11    10 S   HC   HB11    11     1.09819   109.43325   -49.79725
   12    10 S   HC   HB12    12     1.09821   110.35712    66.77690
   13    10 S   CT   _CG1    13     1.52993   112.66797  -170.89217
   14    13 S   HC   HG11    14     1.09539   110.43285   -61.35985
   15    13 S   HC   HG12    15     1.09643   110.05076    57.74517
   16    13 S   C    _CD1    16     1.51808   112.32285   177.96885
   17    16 S   O    _OE1    17     1.22716   123.24519    -8.51246
   18    16 S   N    _N2_    18     1.38606   111.61144   172.12825
   19    18 S   H    _HN2    19     1.01592   118.97859     0.59116
   20    18 S   CT1  _CA2    20     1.46209   123.47546  -179.87489
   21    20 S   HC   _HA2    21     1.09737   109.36567   -13.82934
   22    20 S   C    _C2_    22     1.53449   108.23435  -129.42553
   23    22 S   O    _O2_    23     1.23008   122.23916  -145.78323
   24    20 S   CT   _CB2    32     1.53384   111.40807   108.38757
   25    24 S   HC   HB21    33     1.09532   109.90390    53.66842
   26    24 S   HC   HB22    34     1.09504   110.47765   172.56563
   27    22 S   N    _N3_    24     1.38505   113.32936    41.55758
   28    27 S   H    _HN3    25     1.01536   118.89381    -0.82733
   29    24 S   S    _SG2    35     1.82773   111.75702   -68.06284
   30    27 S   CT   _CA3    26     1.45475   123.64280   175.21034
   31    30 S   HC   HA31    27     1.09508   109.45895    19.26861
   32    30 S   HC   HA32    28     1.09502   107.04984   136.31475
   33    29 S   CT   _C17    36     1.86978    99.45448   169.60615
   34    33 S   HC   _H6_    37     1.09668   106.96019    29.34070
   35    30 S   CO3  _C3_    29     1.52926   113.03053  -104.36809
   36    35 S   O2Z  _O31    30     1.26415   115.39046   -44.04776
   37    35 S   O2Z  _O32    31     1.26352   114.98373   136.85834
   38    33 S   CT   _C16    38     1.56259   105.30662   -86.70961
   39    38 S   HC   _H5_    39     1.09513   109.48138    40.24082
   40    38 S   CT   _C15    40     1.54205   115.28228   -82.61321
   41    40 S   HC   _H4_    41     1.09827   110.05941  -165.93025
   42    38 S   OH   _O36    82     1.42763   111.03372   154.37988
   43    42 S   HO   _H17    83     0.97215   108.04284   -51.20360
   44    40 S   CT   _C14    42     1.52827   111.28854   -47.18409
   45    44 S   HC   _H15    43     1.09468   109.44581   -69.41341
   46    44 S   HC   _H16    44     1.09790   109.38458   174.50442
   47    40 S   OS   _O37    77     1.43111   111.95053    72.37108
   48    44 S   CT   _C13    45     1.52966   110.84903    54.97931
   49    48 S   HC   _H3_    46     1.09828   109.13812    68.97328
   50    47 S   CT   _C18    78     1.42142   113.45334    83.75043
   51    50 S   HC   _H18    79     1.09282   107.99900  -179.79158
   52    50 S   HC   _H19    80     1.09404   110.43081    61.77141
   53    50 S   HC   _H20    81     1.09284   111.31731   -60.90268
   54    33 S   CT   _C12    47     1.57501   111.32857   146.45709
   55    48 S   NP   _N4_    58     1.51072   109.82281  -173.02377
   56    55 S   H    _H7_    59     1.02909   111.36674   -39.55998
   57    54 S   CA   _C7_    48     1.56304   115.43858   -43.82816
   58    55 S   CT   _C20    60     1.52632   105.94571    80.36493
   59    58 S   HC   _H23    61     1.09455   107.00025   -97.28722
   60    58 S   HC   _H24    62     1.09426   108.41412   144.46885
   61    57 S   CA   _C8_    49     1.40256   121.44056   -35.35230
   62    61 S   HA   _H12    50     1.08441   122.03018     0.37115
   63    54 S   CT   _C21    63     1.56537   117.27393  -164.42183
   64    63 S   HC   _H8_    64     1.09683   112.01734    90.53785
   65    61 S   CA   _C9_    51     1.37999   118.46418  -179.60091
   66    63 S   OH   _O38    65     1.41406   113.97286   -29.58502
   67    66 S   HO   _H25    66     0.97282   108.17476   179.19887
   68    65 S   CA   _C10    52     1.37897   122.67689     1.62895
   69    68 S   CA   _C5_    53     1.38432   121.28012     1.30821
   70    68 S   OS   _O34    72     1.36284   111.01152  -179.95154
   71    57 S   CA   _C6_    54     1.43184   119.60075   150.12033
   72    69 S   OS   _O33    67     1.36651   127.24738   178.37876
   73    70 S   CO   _C11    73     1.43834   102.02855     0.33572
   74    73 S   HC   _H13    74     1.09594   108.70239  -121.72859
   75    73 S   HC   _H14    75     1.09606   108.74256   120.11415
   76    71 S   CT   _C19    55     1.51621   119.16818     2.12080
   77    76 S   HC   _H21    56     1.09546   111.54139   129.33230
   78    76 S   HC   _H22    57     1.09597   110.31195  -109.29071
   79    72 S   CT   _C4_    68     1.42046   118.34293     3.69040
   80    79 S   HC   _H9_    69     1.09448   107.61887   177.55944
   81    79 S   HC   _H10    70     1.09464   111.30005    60.13537
   82    79 S   HC   _H11    71     1.09444   111.11063   -65.14245
   83    65 S   OS   _O35    76     1.36276   124.40693  -178.64867
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  14   7  15   7   4   1  13   6   5   5  16
   7   3   2   1   1  16  13   8  15  10   5   4  10   4   5   2
   9   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    54    57    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    61    71    55    58    63    64    66    47    42    43  
   38    39    40    48    54    57    63    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    48    54    57    63    47    50    42    43  
   40    41    44    54    47    42    43  
   41    44    45    46    48    49    54    55    47    50    51    52    53    42    43  
   44    45    46    48    47    50    42  
   43    44    47    54  
    0  
   45    46    48    49    54    57    76    55    56    58    63    47    50  
   46    48    49    54    55    47  
   48    49    54    55    47  
   50    51    52    53    48  
   49    54    57    61    71    76    77    78    55    56    58    59    60    63    64    66  
   54    57    76    55    56    58    63  
   51    52    53  
   52    53  
   53  
    0  
   57    61    62    65    69    71    76    55    56    58    59    60    63    64    66    67  
   56    58    59    60    63    64    66    57    69    71    76    77    78  
   58    59    60    63    71    76    77    78  
   61    62    65    68    69    71    76    77    78    58    63    64    66    72    83  
   59    60    63    64    66    67    71    76    77    78  
   60    63    64    66    76  
   63    64    66    76  
   62    65    68    69    71    76    63    70    73    83  
   65    68    71    83  
   64    66    67    71    76  
   66    67  
   68    69    71    72    70    73    74    75    83  
   67  
    0  
   69    71    76    72    79    70    73    74    75    83  
   71    76    77    78    72    79    80    81    82    70    73    83  
   73    74    75    83    71    72  
   76    77    78    72    79  
   79    80    81    82    76  
   74    75    83  
   75    83  
   83  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    55   367.000  1.471
   54    57   317.000  1.510
   54    63   268.000  1.529
   57    61   469.000  1.400
   57    71   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   469.000  1.400
   65    83   450.000  1.364
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    55   367.000  1.471
   55    56   434.000  1.010
   55    58   367.000  1.471
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    66   320.000  1.410
   66    67   553.000  0.945
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    83   320.000  1.380
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    54    48    58.35000  112.70000
   33    54    57    70.00000  112.17500
   33    54    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    50    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    54    58.35000  112.70000
   44    48    55    80.00000  111.20000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    54    57    70.00000  112.17500
   48    54    63    58.35000  112.70000
   48    55    76    75.00000  113.01200
   48    55    56    35.00000  109.50000
   48    55    58    75.00000  113.01200
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    57    61    70.00000  120.00000
   54    57    71    70.00000  120.00000
   54    63    58    58.35000  112.70000
   54    63    64    37.50000  110.70000
   54    63    66    50.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    65    63.00000  120.00000
   57    71    69    63.00000  120.00000
   57    71    76    70.00000  120.00000
   61    65    68    63.00000  120.00000
   61    65    83    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    70    70.00000  120.00000
   65    83    73   100.00000  112.36700
   68    69    71    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    70    73   100.00000  112.36700
   69    71    76    70.00000  120.00000
   69    72    79    75.00000  111.00000
   71    57    61    63.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    55    75.00000  110.83300
   76    55    56    35.00000  109.50000
   76    55    58    75.00000  113.01200
   78    76    77    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    54    80.00000  111.20000
   55    76    77    35.00000  109.50000
   55    76    78    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    80.00000  111.20000
   58    55    56    35.00000  109.50000
   58    63    64    37.50000  110.70000
   58    63    66    50.00000  109.50000
   60    58    59    33.00000  107.80000
   63    54    57    70.00000  112.17500
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    55.00000  108.50000
   66    63    64    35.00000  109.50000
   72    69    71    70.00000  120.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    83    92.60000  111.55000
   75    73    74    33.00000  109.50000
   83    65    68    70.00000  120.00000
   83    73    74    35.00000  109.50000
   83    73    75    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    54    63   0.44750  1.0 1.0
   29    33    54    63  -0.17800 -1.0 2.0
   29    33    54    63   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.62750  1.0 1.0
   33    38    40    47  -0.30950 -1.0 2.0
   33    38    40    47   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    57    61   0.04150 -1.0 2.0
   33    54    57    71   0.04150 -1.0 2.0
   33    54    63    58   0.56750  1.0 1.0
   33    54    63    58  -0.07550 -1.0 2.0
   33    54    63    58   0.20000  1.0 3.0
   33    54    63    64   0.15000  1.0 3.0
   33    54    63    66   0.86500  1.0 1.0
   33    54    63    66  -0.17500 -1.0 2.0
   33    54    63    66   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    57   0.43200  1.0 3.0
   34    33    54    63   0.15000  1.0 3.0
   38    33    54    48   0.56750  1.0 1.0
   38    33    54    48  -0.07550 -1.0 2.0
   38    33    54    48   0.20000  1.0 3.0
   38    33    54    57  -0.03700  1.0 1.0
   38    33    54    57   0.37200 -1.0 2.0
   38    33    54    57  -0.47300  1.0 3.0
   38    33    54    63   0.56750  1.0 1.0
   38    33    54    63  -0.07550 -1.0 2.0
   38    33    54    63   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    47    50   0.06250  1.0 1.0
   38    40    47    50  -0.01100 -1.0 2.0
   38    40    47    50   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    54   0.56750  1.0 1.0
   40    44    48    54  -0.07550 -1.0 2.0
   40    44    48    54   0.20000  1.0 3.0
   40    44    48    55   1.36600  1.0 1.0
   40    44    48    55  -0.11450 -1.0 2.0
   40    44    48    55   0.24250  1.0 3.0
   40    47    50    51   0.37050  1.0 3.0
   40    47    50    52   0.37050  1.0 3.0
   40    47    50    53   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    47    50   0.37050  1.0 3.0
   44    40    47    50   0.06250  1.0 1.0
   44    40    47    50  -0.01100 -1.0 2.0
   44    40    47    50   0.28050  1.0 3.0
   44    48   -54    33   0.56750  1.0 1.0
   44    48   -54    33  -0.07550 -1.0 2.0
   44    48   -54    33   0.20000  1.0 3.0
   44    48    54    57  -0.03700  1.0 1.0
   44    48    54    57   0.37200 -1.0 2.0
   44    48    54    57  -0.47300  1.0 3.0
   44    48    54    63   0.56750  1.0 1.0
   44    48    54    63  -0.07550 -1.0 2.0
   44    48    54    63   0.20000  1.0 3.0
   44    48    55    76   0.47100  1.0 1.0
   44    48    55    56   0.17350  1.0 3.0
   44    48    55    58   0.47100  1.0 1.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    55   0.19200  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    54   0.15000  1.0 3.0
   46    44    48    55   0.19200  1.0 3.0
   48    54    57    61   0.04150 -1.0 2.0
   48    54    57    71   0.04150 -1.0 2.0
   48    54   -63    58   0.56750  1.0 1.0
   48    54   -63    58  -0.07550 -1.0 2.0
   48    54   -63    58   0.20000  1.0 3.0
   48    54    63    64   0.15000  1.0 3.0
   48    54    63    66   0.86500  1.0 1.0
   48    54    63    66  -0.17500 -1.0 2.0
   48    54    63    66   0.20800  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.15000  1.0 3.0
   48    55   -58    63   0.47100  1.0 1.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    57   0.43200  1.0 3.0
   49    48    54    63   0.15000  1.0 3.0
   49    48    55    76   0.15000  1.0 3.0
   49    48    55    56   0.13050  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    48    55    76   0.47100  1.0 1.0
   54    48    55    56   0.17350  1.0 3.0
   54    48   -55    58   0.47100  1.0 1.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    65   3.62500 -1.0 2.0
   54    57    71    69   3.62500 -1.0 2.0
   54    57   -71    76   3.62500 -1.0 2.0
   54    63    66    67  -0.11600  1.0 1.0
   54    63    66    67  -0.09450 -1.0 2.0
   54    63    66    67   0.21250  1.0 3.0
   57    54    63    58  -0.03700  1.0 1.0
   57    54    63    58   0.37200 -1.0 2.0
   57    54    63    58  -0.47300  1.0 3.0
   57    54    63    64   0.43200  1.0 3.0
   57    54    63    66   1.13150  1.0 1.0
   57    54    63    66  -1.01400 -1.0 2.0
   57    61    65    68   3.62500 -1.0 2.0
   57    61    65    83   3.62500 -1.0 2.0
   57    71    76    77   0.00000  1.0 1.0
   57    71    76    78   0.00000  1.0 1.0
   57    71    76    55  -0.46400 -1.0 2.0
   61    57    71    69   3.62500 -1.0 2.0
   61    57    71    76   3.62500 -1.0 2.0
   61    65   -68    69   3.62500 -1.0 2.0
   61    65    68    70   3.62500 -1.0 2.0
   61    65    83    73   1.63200 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   62    61    65    83   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    72   3.62500 -1.0 2.0
   65    68   -70    73   1.63200 -1.0 2.0
   68    65   -83    73   1.63200 -1.0 2.0
   68    69   -71    57   3.62500 -1.0 2.0
   68    69    71    76   3.62500 -1.0 2.0
   68    69    72    79   1.63200 -1.0 2.0
   68    70    73    74   0.08050  1.0 3.0
   68    70    73    75   0.08050  1.0 3.0
   68    70   -73    83  -0.25600  1.0 1.0
   68    70   -73    83  -0.40050 -1.0 2.0
   68    70   -73    83   0.34700  1.0 3.0
   69    68    70    73   1.63200 -1.0 2.0
   69    71    76    77   0.00000  1.0 1.0
   69    71    76    78   0.00000  1.0 1.0
   69    71    76    55  -0.46400 -1.0 2.0
   69    72    79    80   0.08050  1.0 3.0
   69    72    79    81   0.08050  1.0 3.0
   69    72    79    82   0.08050  1.0 3.0
   71    57    61    62   3.62500 -1.0 2.0
   71    57   -61    65   3.62500 -1.0 2.0
   71    69    72    79   1.63200 -1.0 2.0
   71    76   -55    48   0.03550  1.0 1.0
   71    76   -55    48   0.09800 -1.0 2.0
   71    76    55    56   0.17350  1.0 3.0
   71    76    55    58   0.03550  1.0 1.0
   71    76    55    58   0.09800 -1.0 2.0
   76    55    58    59   0.15000  1.0 3.0
   76    55    58    60   0.15000  1.0 3.0
   76    55    58    63   0.47100  1.0 1.0
   77    76    55    48   0.15000  1.0 3.0
   77    76    55    56   0.13050  1.0 3.0
   77    76    55    58   0.15000  1.0 3.0
   78    76    55    48   0.15000  1.0 3.0
   78    76    55    56   0.13050  1.0 3.0
   78    76    55    58   0.15000  1.0 3.0
   55    48    54    33   1.36600  1.0 1.0
   55    48    54    33  -0.11450 -1.0 2.0
   55    48    54    33   0.24250  1.0 3.0
   55    48   -54    57   1.24050  1.0 1.0
   55    48   -54    57   0.48100 -1.0 2.0
   55    48   -54    57   1.08150  1.0 3.0
   55    48   -54    63   1.36600  1.0 1.0
   55    48   -54    63  -0.11450 -1.0 2.0
   55    48   -54    63   0.24250  1.0 3.0
   55    58   -63    54   1.36600  1.0 1.0
   55    58   -63    54  -0.11450 -1.0 2.0
   55    58   -63    54   0.24250  1.0 3.0
   55    58    63    64   0.19200  1.0 3.0
   55    58    63    66   1.69300  1.0 1.0
   55    58    63    66  -0.48450 -1.0 2.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.13050  1.0 3.0
   56    55    58    63   0.17350  1.0 3.0
   58    63    66    67  -0.11600  1.0 1.0
   58    63    66    67  -0.09450 -1.0 2.0
   58    63    66    67   0.21250  1.0 3.0
   59    58    63    54   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.23400  1.0 3.0
   60    58    63    54   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.23400  1.0 3.0
   63    54    57    61   0.04150 -1.0 2.0
   63    54    57    71   0.04150 -1.0 2.0
   64    63    66    67   0.19450  1.0 3.0
   72    69    71    57   3.62500 -1.0 2.0
   72    69    71    76   3.62500 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    73   -83    65  -0.25600  1.0 1.0
   70    73   -83    65  -0.40050 -1.0 2.0
   70    73   -83    65   0.34700  1.0 3.0
   74    73    83    65   0.08050  1.0 3.0
   75    73    83    65   0.08050  1.0 3.0
   83    65    68    69   3.62500 -1.0 2.0
   83    65   -68    70   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   3.69350  1.0 1.0
   42    38    40    47  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   61    71    57    54   4.00000 -1.0 2.0
   65    62    61    57   1.10000 -1.0 2.0
   68    83    65    61   4.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   69    76    71    57   4.00000 -1.0 2.0
END
